General Information of the Compound
| Compound ID |
CP0565659
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| Compound Name |
US9187437, 32
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| Structure |
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| Formula |
C21H22ClN3O
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| Molecular Weight |
367.88
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| Canonical SMILES |
Clc1cc(ccn1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1
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| InChI |
InChI=1S/C21H22ClN3O/c22-18-15-16(10-14-23-18)20-24-19(26-25-20)9-13-21(11-5-2-6-12-21)17-7-3-1-4-8-17/h1,3-4,7-8,10,14-15H,2,5-6,9,11-13H2
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| InChIKey |
RDHDZYQPPWQRIT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound